1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea

C13H18N2O2 — CID 47117479

IUPAC1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
SMILESCCNC(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-2-14-13(16)15-8-10-7-11-5-3-4-6-12(11)17-9-10/h3-6,10H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyLCCFPVVROAZMTC-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea

1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea (PubChem CID 47117479) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
PubChem CID47117479
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
SMILESCCNC(=O)NCC1COc2ccccc2C1
InChIInChI=1S/C13H18N2O2/c1-2-14-13(16)15-8-10-7-11-5-3-4-6-12(11)17-9-10/h3-6,10H,2,7-9H2,1H3,(H2,14,15,16)
InChIKeyLCCFPVVROAZMTC-UHFFFAOYSA-N
XLogP1.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(2S)-2-hydroxy-2-phenylethyl]urea
CID 94151870
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757
1-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-3-[(1S,3R)-3-methylsulfanylcyclopentyl]urea
CID 98773131
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
CID 94513083
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea (CID 47117479) is 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea is CCNC(=O)NCC1COc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea?
The InChIKey is LCCFPVVROAZMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-14-13(16)15-8-10-7-11-5-3-4-6-12(11)17-9-10/h3-6,10H,2,7-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea?
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea has a molecular weight of 234.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea is sourced from PubChem (CID 47117479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).